SCHEMBL31087642

SCHEMBL31087642

[C-]#[N+]c1cccc(Br)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
TLR8 Q9NR97 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
LMNA P02545 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1343169 0.78 DYRK1A (0.42) DYRK1ATLR8MAPK1L3MBTL1ALDH1A1
SCHEMBL7911284 0.71
SCHEMBL29951766 0.71
SCHEMBL769669 0.70 DYRK1A (0.46) DYRK1ATLR8L3MBTL1ALDH1A1MAPT
SCHEMBL16955465 0.68 ALDH1A1 (0.37) DYRK1ATLR8MAPK1L3MBTL1ALDH1A1
SCHEMBL584047 0.68 CYP1A2 (0.50) DYRK1ATLR8ALDH1A1MAPTKDM4E
SCHEMBL5875840 0.68 ALDH1A1 (0.41) DYRK1ATLR8L3MBTL1ALDH1A1MAPT
SCHEMBL9329818 0.68 L3MBTL1 (0.47) DYRK1AL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL619229 0.68 ALDH1A1 (0.36) DYRK1ATLR8ALDH1A1MAPTKDM4E
SCHEMBL17541429 0.68 DYRK1A (0.40) DYRK1ATLR8MAPK1L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812539-A 5-Aminotriazolopyrimidine derivative and preparation method thereof 苏州大学 2024-10-22 CN claimed
CN-118812539-A 5-Aminotriazolopyrimidine derivative and preparation method thereof 苏州大学 2024-10-22 CN disclosed